SCHEMBL8038833

SCHEMBL8038833

C[C@H](Nc1ccc(Cl)nn1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 5/20 0.44
▸ HDAC4 P56524 2/20 0.44
▸ HDAC1 Q13547 2/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.44
▸ PSEN1 P49768 1/20 0.44
▸ PSEN2 P49810 1/20 0.44
▸ APH1B Q8WW43 1/20 0.44
▸ NCSTN Q92542 1/20 0.44
▸ APH1A Q96BI3 1/20 0.44
▸ PSENEN Q9NZ42 1/20 0.44
▸ CNR1 P21554 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ GPR55 Q9Y2T6 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ENPP2 Q13822 1/20 0.38
▸ EGFR P00533 1/20 0.36
▸ JUN P05412 1/20 0.36
▸ NFKB1 P19838 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20022025 0.84 PSEN1 (0.49) PDE2AHDAC4HDAC1HDAC6PSEN1
SCHEMBL8051390 0.83 GPR55 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20021789 0.82 HDAC4 (0.44) PDE2AHDAC4HDAC1HDAC6PSEN1
SCHEMBL17723350 0.80 HDAC4 (0.43) PDE2AHDAC4HDAC1HDAC6PSEN1
SCHEMBL17723376 0.80 ALDH1A1 (0.51) ALDH1A1GAAMAPTATP1A1ATP1B1
SCHEMBL8038836 0.72 NPC1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4897243 0.72 CNR2 (0.52) PDE2ACNR1CNR2MAPTKCNH2
SCHEMBL12411080 0.71 GAA (0.54) ALDH1A1GAAMAPT
SCHEMBL28277730 0.71 PDE2A (0.47) PDE2ACNR1CNR2ALDH1A1
SCHEMBL21555167 0.69 ENPP2 (0.52) HDAC4HDAC1HDAC6PSEN1PSEN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009050227-A1 PYRIDAZINE DERIVATIVES FOR INHIBITING BETA AMYLOID PEPTIDE PRODUCTION GLAXO GROUP LIMITED (GB) 2009-04-23 — — WO disclosed
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